SCHEMBL8264693

SCHEMBL8264693

CN(CC(=O)O)C(=O)c1ccc(CN(C)c2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GRM1 Q13255 6/20 0.51
GSTO1 P78417 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALOX15 P16050 1/20 0.47
CPB1 P15086 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 1/20 0.43
PTPRB P23467 1/20 0.43
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1746621 0.86 KMT2A (0.60) KMT2AMEN1L3MBTL1GRM1GSTO1
SCHEMBL1747338 0.82 KMT2A (0.56) KMT2AMEN1L3MBTL1GRM1GSTO1
SCHEMBL1747124 0.82 KMT2A (0.58) KMT2AMEN1L3MBTL1GRM1GSTO1
SCHEMBL18674659 0.82 KMT2A (0.53) KMT2AMEN1L3MBTL1GRM1GSTO1
SCHEMBL18674605 0.81 GSTO1 (0.62) KMT2AMEN1L3MBTL1GRM1GSTO1
SCHEMBL18674599 0.81 KMT2A (0.64) KMT2AMEN1L3MBTL1GRM1GSTO1
SCHEMBL20243713 0.80 GCGR (0.65)
SCHEMBL1746662 0.80 KMT2A (0.57) KMT2AMEN1L3MBTL1GRM1GSTO1
SCHEMBL1745036 0.77 MEN1 (0.53) KMT2AMEN1L3MBTL1GSTO1NPC1
SCHEMBL1746506 0.77 KMT2A (0.57) KMT2AMEN1L3MBTL1GRM1GSTO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006074262-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-07-13 WO disclosed